• Design de matériaux
• Matériaux pour l'entreposage d'hydrogène
• Cages organo-métalliques et matériaux poreux
• Polymères conjugués et transport électronique
• Développement de méthodes ab initio
• DFT avec échange exact
• DFT dépendant du temps

• Materials Design
• Materials for Hydrogen Storage
• Metal-Organic Frameworks and porous materials
• Conjugated Polymers and electronic transport
• Ab Initio Method Development
• Exact Exchange DFT
• Time-Dependent DFT

Publications récentes

Soumis

• Sebastien Hamel and Michel Cote, Quantum chemical study of the rotational transitions of H2 physisorbed over benzene , JCP, Soumis
• Sebastien Hamel and Michel Cote, Ab initio study of the hindered rotation of H2 over benzene , Proceeding for MRS 2003 Fall Meeting Symposium BB, Soumis
  2002
  
• Sebastien Hamel, Patrick Duffy, Mark E. Casida and Dennis R. Salahub, Kohn-Sham orbitals and orbital energies: fictitious constructs but good approximations all the same , Electron Spectroscopy and Related Phenomena 123, 345, 2002
• Sebastien Hamel, Mark E. Casida and Dennis R. Salahub, Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction , J. Chem. Phys. 116, 8276, 2002
  2001
  
• Sebastien Hamel, Mark E. Casida and Dennis R. Salahub, Assessment of the quality of orbital energies in resolution-of-the-identity Hartree--Fock calculations using deMon auxiliary basis sets , J. Chem. Phys. 114, 7342, 2001